SCHEMBL6480698

SCHEMBL6480698

COCCCn1c(-c2ccc(F)cc2)nc2ccc(OCCCCCC(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIN1 Q13526 4/20 0.47
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
PDE2A O00408 4/20 0.46
POLB P06746 1/20 0.45
PTGER4 P35408 3/20 0.43
P2RY12 Q9H244 2/20 0.43
LTB4R Q15722 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AVPR1B P47901 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6484026 0.93 KDM4E (0.51) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL6483724 0.93 DPP4 (0.48) KDM4EALDH1A1PIN1PDE3BPDE3A
SCHEMBL6476172 0.92 PDE3B (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6475593 0.92 PIN1 (0.47) KDM4EALDH1A1PIN1PDE3BPDE3A
SCHEMBL6484337 0.92 PIN1 (0.51) KDM4EALDH1A1HPGDPIN1PDE3B
SCHEMBL6484473 0.90 PIN1 (0.47) KDM4EPIN1PDE3BPDE3APDE2A
SCHEMBL6487011 0.90 PIN1 (0.51) KDM4EPIN1PDE3BPDE3APDE2A
SCHEMBL6475279 0.90 PIN1 (0.59) KDM4EALDH1A1PIN1PDE3BPDE3A
SCHEMBL6484022 0.90 PDE3B (0.46) KDM4EALDH1A1HPGDPIN1PDE3B
SCHEMBL6474865 0.89 GRIN2B (0.45) KDM4EALDH1A1HPGDHSD17B10PIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US claimed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP claimed
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 US claimed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO claimed
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives ARG2, MSR1, ARG1 KDM4E 1512/4885ALDH1A1 182/4885GLA 1051/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.